SCHEMBL13223273

SCHEMBL13223273

C=C[C@@H]1C[C@]1(N)C(=O)NS(=O)(=O)c1ccccc1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 5/20 0.42
▸ CA2 P00918 5/20 0.42
▸ CA9 Q16790 5/20 0.42
▸ CA12 O43570 3/20 0.41
▸ SLC1A3 P43003 1/20 0.40
▸ SLC1A2 P43004 1/20 0.40
▸ SLC1A1 P43005 1/20 0.40
▸ ALKBH2 Q6NS38 1/20 0.38
▸ ALKBH3 Q96Q83 1/20 0.38
▸ FBP1 P09467 1/20 0.37
▸ KAT6A Q92794 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ MMP1 P03956 1/20 0.35
▸ MMP2 P08253 1/20 0.35
▸ MMP9 P14780 1/20 0.35
▸ MMP8 P22894 1/20 0.35
▸ MMP13 P45452 1/20 0.35
▸ HTT P42858 3/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ ALOX12 P18054 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1013915 0.87 HTR6 (0.36) CA1CA2CA9CA12KMT2A
SCHEMBL1013917 0.87 HTR6 (0.36) CA1CA2CA9CA12KMT2A
Hydrochloric Acid SCHEMBL1017421 0.86 HTR6 (0.35) CA1CA2CA9CA12KMT2A
Hydrochloric Acid SCHEMBL1017420 0.86 HTR6 (0.35) CA1CA2CA9CA12KMT2A
SCHEMBL5520443 0.84 METAP2 (0.32) CA1CA2LMNA
SCHEMBL5520448 0.84 METAP2 (0.32) CA1CA2LMNA
SCHEMBL14135672 0.83 KMT2A (0.46) CA1CA2CA9CA12ALDH1A1
SCHEMBL13792661 0.83 KMT2A (0.46) CA1CA2CA9CA12ALDH1A1
SCHEMBL3037460 0.81 NPSR1 (0.50) CA1CA2CA9CA12ALDH1A1
SCHEMBL13223272 0.80 CA1 (0.44) CA1CA2CA9CA12SLC1A3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100204159-A1 ORGANIC COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2010-08-12 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100204159-A1 ORGANIC COMPOUNDS AND THEIR USES OAT, OTC, AOX1 CA1 2516/4885CA2 1716/4885CA9 605/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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